MassBank Record: MSBNK-EPA-ENTACT_AGILENT001848
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001848
RECORD_TITLE: 4-Ethoxy-4-oxobut-2-enoic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: 4-Ethoxy-4-oxobut-2-enoic acid
CH$NAME: DTXSID1044485
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8O4
CH$EXACT_MASS: 144.0422587444
CH$SMILES: CCOC(=O)/C=C/C(O)=O
CH$IUPAC: InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
CH$LINK: CAS
3249-53-4
CH$LINK: INCHIKEY
XLYMOEINVGRTEX-ONEGZZNKSA-N
CH$LINK: PUBCHEM
CID:41331
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 143.0349822927
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0002-9000000000-ea5d4bb24a0db2398b26
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
41.003288 2.18037 21
43.018938 27.326786 272
45.034588 45.166259 451
53.039674 1.320973 13
55.018938 9.467186 94
57.034588 2.323805 23
59.013853 2.309149 23
69.034588 7.877798 78
71.013853 47.253919 472
71.050238 17.123875 171
81.034588 4.53012 45
84.021678 16.414122 163
97.029503 1.093108 10
99.045153 100.000001 999
143.034982 14.169574 141
//